J097-0618 Screening compound: N~9~-(2,5-dimethoxyphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

J097-0618 Screening compound: N~9~-(2,5-dimethoxyphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide
J097-0618 Screening compound: N~9~-(2,5-dimethoxyphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J097-0618
N~9~-(2,5-dimethoxyphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J097-0618

Molecular Formula

C23H22N2O5S (C23 H22 N2 O5 S)

Compound Name

N~9~-(2,5-dimethoxyphenyl)-6,7-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-dibenzo[c,e][1,2]thiazine-9-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-911-dimethyl-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-13-carboxamide

SMILES

Cc1cc(C(Nc(cc(cc2)OC)c2OC)=O)cc(-c2c3cccc2)c1N(C)S3(=O)=O

InChI

InChI=1S/C23H22N2O5S/c1-14-11-15(23(26)24-19-13-16(29-3)9-10-20(19)30-4)12-18-17-7-5-6-8-21(17)31(27,28)25(2)22(14)18/h5-13H,1-4H3,(H,24,26)

InChI Key

PULBLJDEBRHQED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27225164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.58

Polar Surface Area

70.764

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J097-0618 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J097-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J097-0618?
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What is the minimum amount of J097-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J097-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J097-0618
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J097-0618 available by request